ethyl 3-pyrrolidin-1-ylprop-2-enoate

C9H15NO2 — CID 2748620

IUPACethyl 3-pyrrolidin-1-ylprop-2-enoate
SMILESCCOC(=O)C=CN1CCCC1
InChIInChI=1S/C9H15NO2/c1-2-12-9(11)5-8-10-6-3-4-7-10/h5,8H,2-4,6-7H2,1H3
InChIKeyVFFHLZJSZHWXAJ-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.16
Rot. Bonds3

About ethyl 3-pyrrolidin-1-ylprop-2-enoate

ethyl 3-pyrrolidin-1-ylprop-2-enoate (PubChem CID 2748620) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is ethyl 3-pyrrolidin-1-ylprop-2-enoate.

Molecular Properties

Compound Nameethyl 3-pyrrolidin-1-ylprop-2-enoate
PubChem CID2748620
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Nameethyl 3-pyrrolidin-1-ylprop-2-enoate
SMILESCCOC(=O)C=CN1CCCC1
InChIInChI=1S/C9H15NO2/c1-2-12-9(11)5-8-10-6-3-4-7-10/h5,8H,2-4,6-7H2,1H3
InChIKeyVFFHLZJSZHWXAJ-UHFFFAOYSA-N
XLogP1.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-pyrrolidin-1-ylprop-2-enoate?
The IUPAC name of ethyl 3-pyrrolidin-1-ylprop-2-enoate (CID 2748620) is ethyl 3-pyrrolidin-1-ylprop-2-enoate.
What is the SMILES notation for ethyl 3-pyrrolidin-1-ylprop-2-enoate?
The canonical SMILES for ethyl 3-pyrrolidin-1-ylprop-2-enoate is CCOC(=O)C=CN1CCCC1.
What is the InChIKey of ethyl 3-pyrrolidin-1-ylprop-2-enoate?
The InChIKey is VFFHLZJSZHWXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-2-12-9(11)5-8-10-6-3-4-7-10/h5,8H,2-4,6-7H2,1H3.
What are the key properties of ethyl 3-pyrrolidin-1-ylprop-2-enoate?
ethyl 3-pyrrolidin-1-ylprop-2-enoate has a molecular weight of 169.22 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-pyrrolidin-1-ylprop-2-enoate is sourced from PubChem (CID 2748620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).